Project name: 757d32a38ffb84

Status: done

Started: 2026-05-20 05:15:39
Settings
Chain sequence(s) A: EVQLVESGGGVVQPGNSLRLSCAASGFSFSSGMSWVRQAPGKGLEWVSSISGNGKSTLYADSVKGRFTISRDNAKTTLYLQMNSLRPEDTALYYCTIGFGGSPGDPTPRGGYWGQGTLVTVSS
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:11)
Show buried residues

Minimal score value
-2.4682
Maximal score value
1.5749
Average score
-0.6741
Total score value
-82.9095

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
1 E A -2.0190
2 V A -0.9259
3 Q A -1.2902
4 L A 0.0000
5 V A 0.1773
6 E A 0.0000
7 S A -0.4170
8 G A -0.7427
9 G A 0.0231
10 G A 0.8106
11 V A 1.5749
12 V A -0.0942
13 Q A -1.5246
14 P A -1.8195
15 G A -1.7709
16 N A -1.8032
17 S A -1.4706
18 L A -0.8747
19 R A -1.7756
20 L A 0.0000
21 S A -0.4323
22 C A 0.0000
23 A A -0.2341
24 A A 0.0000
25 S A -0.9827
26 G A -1.1556
27 F A -0.3840
28 S A -0.2814
29 F A 0.0000
30 S A -0.8121
31 S A -0.3473
32 G A -0.3975
33 M A 0.0000
34 S A 0.0000
35 W A 0.0000
36 V A 0.0000
37 R A 0.0000
38 Q A -0.7821
39 A A -1.1483
40 P A -0.9542
41 G A -1.5041
42 K A -2.2443
43 G A -1.3788
44 L A -0.6421
45 E A -1.0942
46 W A 0.0000
47 V A 0.0000
48 S A 0.0000
49 S A 0.0000
50 I A 0.0000
51 S A -0.7850
52 G A -1.2564
53 N A -2.2778
54 G A -2.0814
55 K A -2.3348
56 S A -1.0795
57 T A -0.0647
58 L A 0.2887
59 Y A -0.6483
60 A A 0.0000
61 D A -2.4135
62 S A -1.7616
63 V A 0.0000
64 K A -2.4266
65 G A -1.6385
66 R A 0.0000
67 F A 0.0000
68 T A -0.6763
69 I A 0.0000
70 S A -0.7302
71 R A -1.4594
72 D A -1.9297
73 N A -2.1102
74 A A -1.4461
75 K A -2.2413
76 T A -1.4534
77 T A 0.0000
78 L A 0.0000
79 Y A -0.5700
80 L A 0.0000
81 Q A -1.0639
82 M A 0.0000
83 N A -1.4281
84 S A -1.3630
85 L A 0.0000
86 R A -2.4682
87 P A -2.0069
88 E A -2.3598
89 D A 0.0000
90 T A -0.5814
91 A A 0.0000
92 L A 0.4412
93 Y A 0.0000
94 Y A 0.0000
95 C A 0.0000
96 T A 0.0000
97 I A 0.0000
98 G A 0.0000
99 F A 0.3285
100 G A 0.0000
101 G A -0.7484
102 S A -0.6804
103 P A -1.2523
104 G A -1.3642
105 D A -1.7569
106 P A -1.1892
107 T A -0.8270
108 P A 0.0000
109 R A -2.0661
110 G A -1.1480
111 G A -0.6820
112 Y A 0.4295
113 W A 0.3975
114 G A -0.1697
115 Q A -0.9810
116 G A -0.2270
117 T A 0.1164
118 L A 0.8367
119 V A 0.0000
120 T A 0.2303
121 V A 0.0000
122 S A -0.8145
123 S A -0.6983
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018